4-[methyl(silyloxy)silyl]butanoic acid

C5H14O3Si2 — CID 173390691

IUPAC4-[methyl(silyloxy)silyl]butanoic acid
SMILESC[SiH](CCCC(=O)O)O[SiH3]
InChIInChI=1S/C5H14O3Si2/c1-10(8-9)4-2-3-5(6)7/h10H,2-4H2,1,9H3,(H,6,7)
InChIKeyOJPPLZSEMYWGDZ-UHFFFAOYSA-N
MW178.34 g/mol
LogP-0.50
Rot. Bonds5

About 4-[methyl(silyloxy)silyl]butanoic acid

4-[methyl(silyloxy)silyl]butanoic acid (PubChem CID 173390691) has the molecular formula C5H14O3Si2 and a molecular weight of 178.34 g/mol. Its IUPAC name is 4-[methyl(silyloxy)silyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl(silyloxy)silyl]butanoic acid
PubChem CID173390691
Molecular FormulaC5H14O3Si2
Molecular Weight178.34 g/mol
Exact Mass178.05
IUPAC Name4-[methyl(silyloxy)silyl]butanoic acid
SMILESC[SiH](CCCC(=O)O)O[SiH3]
InChIInChI=1S/C5H14O3Si2/c1-10(8-9)4-2-3-5(6)7/h10H,2-4H2,1,9H3,(H,6,7)
InChIKeyOJPPLZSEMYWGDZ-UHFFFAOYSA-N
XLogP-0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethanamine;hexanedioic acid
CID 173189130
methanol;tridecanedioic acid
CID 175511493
chloromethane;pentanedioic acid
CID 159659659
hexanedioic acid;propan-2-one
CID 158520683
4-methylsilylbutanoic acid
CID 123603820
acetic acid;4-hydroxybutanoic acid
CID 173284712
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
erbium;pentanedioic acid
CID 87931794
heptadecanedioic acid
CID 3083765
azane;bis(pentanedioic acid)
CID 138524332

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(silyloxy)silyl]butanoic acid?
The IUPAC name of 4-[methyl(silyloxy)silyl]butanoic acid (CID 173390691) is 4-[methyl(silyloxy)silyl]butanoic acid.
What is the SMILES notation for 4-[methyl(silyloxy)silyl]butanoic acid?
The canonical SMILES for 4-[methyl(silyloxy)silyl]butanoic acid is C[SiH](CCCC(=O)O)O[SiH3].
What is the InChIKey of 4-[methyl(silyloxy)silyl]butanoic acid?
The InChIKey is OJPPLZSEMYWGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O3Si2/c1-10(8-9)4-2-3-5(6)7/h10H,2-4H2,1,9H3,(H,6,7).
What are the key properties of 4-[methyl(silyloxy)silyl]butanoic acid?
4-[methyl(silyloxy)silyl]butanoic acid has a molecular weight of 178.34 g/mol, XLogP of -0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(silyloxy)silyl]butanoic acid is sourced from PubChem (CID 173390691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).